logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC06524826

 MMsINC code: MMs03782872
Type: Neutral
Formula: C9H10F2N2O4
SMILES:   FC1C(F)C(OC1CO)N1C=CC(=O)NC1=O
InChI:   InChI=1/C9H10F2N2O4/c10-6-4(3-14)17-8(7(6)11)13-2-1-5(15)12-9(13)16/h1-2,4,6-8,14H,3H2,(H,12,15,16)/t4-,6-,7-,8-/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=20.0333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.185 g/mol  logS: -0.92411  SlogP: 0.2851  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150208  Sterimol/B1: 2.67354  Sterimol/B2: 3.70527  Sterimol/B3: 3.9572
  Sterimol/B4: 4.13341  Sterimol/L: 12.0663 
 
 Surface and Volume Properties
  Accessible surface: 400.31  Positive charged surface: 226.282  Negative charged surface: 174.027  Volume: 190.75
  Hydrophobic surface: 164.827  Hydrophilic surface: 235.483
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.